pylibsparseir 0.1.0__cp310-cp310-macosx_15_0_arm64.whl → 0.6.0__cp310-cp310-macosx_15_0_arm64.whl

include/eigen3/unsupported/Eigen/src/Splines/SplineFitting.h

@@ -0,0 +1,431 @@
+// This file is part of Eigen, a lightweight C++ template library
+// for linear algebra.
+//
+// Copyright (C) 20010-2011 Hauke Heibel <hauke.heibel@gmail.com>
+//
+// This Source Code Form is subject to the terms of the Mozilla
+// Public License v. 2.0. If a copy of the MPL was not distributed
+// with this file, You can obtain one at http://mozilla.org/MPL/2.0/.
+
+#ifndef EIGEN_SPLINE_FITTING_H
+#define EIGEN_SPLINE_FITTING_H
+
+#include <algorithm>
+#include <functional>
+#include <numeric>
+#include <vector>
+
+#include "SplineFwd.h"
+
+#include "../../../../Eigen/LU"
+#include "../../../../Eigen/QR"
+
+namespace Eigen
+{
+  /**
+   * \brief Computes knot averages.
+   * \ingroup Splines_Module
+   *
+   * The knots are computed as
+   * \f{align*}
+   *  u_0 & = \hdots = u_p = 0 \\
+   *  u_{m-p} & = \hdots = u_{m} = 1 \\
+   *  u_{j+p} & = \frac{1}{p}\sum_{i=j}^{j+p-1}\bar{u}_i \quad\quad j=1,\hdots,n-p
+   * \f}
+   * where \f$p\f$ is the degree and \f$m+1\f$ the number knots
+   * of the desired interpolating spline.
+   *
+   * \param[in] parameters The input parameters. During interpolation one for each data point.
+   * \param[in] degree The spline degree which is used during the interpolation.
+   * \param[out] knots The output knot vector.
+   *
+   * \sa Les Piegl and Wayne Tiller, The NURBS book (2nd ed.), 1997, 9.2.1 Global Curve Interpolation to Point Data
+   **/
+  template <typename KnotVectorType>
+  void KnotAveraging(const KnotVectorType& parameters, DenseIndex degree, KnotVectorType& knots)
+  {
+    knots.resize(parameters.size()+degree+1);      
+
+    for (DenseIndex j=1; j<parameters.size()-degree; ++j)
+      knots(j+degree) = parameters.segment(j,degree).mean();
+
+    knots.segment(0,degree+1) = KnotVectorType::Zero(degree+1);
+    knots.segment(knots.size()-degree-1,degree+1) = KnotVectorType::Ones(degree+1);
+  }
+
+  /**
+   * \brief Computes knot averages when derivative constraints are present.
+   * Note that this is a technical interpretation of the referenced article
+   * since the algorithm contained therein is incorrect as written.
+   * \ingroup Splines_Module
+   *
+   * \param[in] parameters The parameters at which the interpolation B-Spline
+   *            will intersect the given interpolation points. The parameters
+   *            are assumed to be a non-decreasing sequence.
+   * \param[in] degree The degree of the interpolating B-Spline. This must be
+   *            greater than zero.
+   * \param[in] derivativeIndices The indices corresponding to parameters at
+   *            which there are derivative constraints. The indices are assumed
+   *            to be a non-decreasing sequence.
+   * \param[out] knots The calculated knot vector. These will be returned as a
+   *             non-decreasing sequence
+   *
+   * \sa Les A. Piegl, Khairan Rajab, Volha Smarodzinana. 2008.
+   * Curve interpolation with directional constraints for engineering design. 
+   * Engineering with Computers
+   **/
+  template <typename KnotVectorType, typename ParameterVectorType, typename IndexArray>
+  void KnotAveragingWithDerivatives(const ParameterVectorType& parameters,
+                                    const unsigned int degree,
+                                    const IndexArray& derivativeIndices,
+                                    KnotVectorType& knots)
+  {
+    typedef typename ParameterVectorType::Scalar Scalar;
+
+    DenseIndex numParameters = parameters.size();
+    DenseIndex numDerivatives = derivativeIndices.size();
+
+    if (numDerivatives < 1)
+    {
+      KnotAveraging(parameters, degree, knots);
+      return;
+    }
+
+    DenseIndex startIndex;
+    DenseIndex endIndex;
+  
+    DenseIndex numInternalDerivatives = numDerivatives;
+    
+    if (derivativeIndices[0] == 0)
+    {
+      startIndex = 0;
+      --numInternalDerivatives;
+    }
+    else
+    {
+      startIndex = 1;
+    }
+    if (derivativeIndices[numDerivatives - 1] == numParameters - 1)
+    {
+      endIndex = numParameters - degree;
+      --numInternalDerivatives;
+    }
+    else
+    {
+      endIndex = numParameters - degree - 1;
+    }
+
+    // There are (endIndex - startIndex + 1) knots obtained from the averaging
+    // and 2 for the first and last parameters.
+    DenseIndex numAverageKnots = endIndex - startIndex + 3;
+    KnotVectorType averageKnots(numAverageKnots);
+    averageKnots[0] = parameters[0];
+
+    int newKnotIndex = 0;
+    for (DenseIndex i = startIndex; i <= endIndex; ++i)
+      averageKnots[++newKnotIndex] = parameters.segment(i, degree).mean();
+    averageKnots[++newKnotIndex] = parameters[numParameters - 1];
+
+    newKnotIndex = -1;
+  
+    ParameterVectorType temporaryParameters(numParameters + 1);
+    KnotVectorType derivativeKnots(numInternalDerivatives);
+    for (DenseIndex i = 0; i < numAverageKnots - 1; ++i)
+    {
+      temporaryParameters[0] = averageKnots[i];
+      ParameterVectorType parameterIndices(numParameters);
+      int temporaryParameterIndex = 1;
+      for (DenseIndex j = 0; j < numParameters; ++j)
+      {
+        Scalar parameter = parameters[j];
+        if (parameter >= averageKnots[i] && parameter < averageKnots[i + 1])
+        {
+          parameterIndices[temporaryParameterIndex] = j;
+          temporaryParameters[temporaryParameterIndex++] = parameter;
+        }
+      }
+      temporaryParameters[temporaryParameterIndex] = averageKnots[i + 1];
+
+      for (int j = 0; j <= temporaryParameterIndex - 2; ++j)
+      {
+        for (DenseIndex k = 0; k < derivativeIndices.size(); ++k)
+        {
+          if (parameterIndices[j + 1] == derivativeIndices[k]
+              && parameterIndices[j + 1] != 0
+              && parameterIndices[j + 1] != numParameters - 1)
+          {
+            derivativeKnots[++newKnotIndex] = temporaryParameters.segment(j, 3).mean();
+            break;
+          }
+        }
+      }
+    }
+    
+    KnotVectorType temporaryKnots(averageKnots.size() + derivativeKnots.size());
+
+    std::merge(averageKnots.data(), averageKnots.data() + averageKnots.size(),
+               derivativeKnots.data(), derivativeKnots.data() + derivativeKnots.size(),
+               temporaryKnots.data());
+
+    // Number of knots (one for each point and derivative) plus spline order.
+    DenseIndex numKnots = numParameters + numDerivatives + degree + 1;
+    knots.resize(numKnots);
+
+    knots.head(degree).fill(temporaryKnots[0]);
+    knots.tail(degree).fill(temporaryKnots.template tail<1>()[0]);
+    knots.segment(degree, temporaryKnots.size()) = temporaryKnots;
+  }
+
+  /**
+   * \brief Computes chord length parameters which are required for spline interpolation.
+   * \ingroup Splines_Module
+   *
+   * \param[in] pts The data points to which a spline should be fit.
+   * \param[out] chord_lengths The resulting chord length vector.
+   *
+   * \sa Les Piegl and Wayne Tiller, The NURBS book (2nd ed.), 1997, 9.2.1 Global Curve Interpolation to Point Data
+   **/   
+  template <typename PointArrayType, typename KnotVectorType>
+  void ChordLengths(const PointArrayType& pts, KnotVectorType& chord_lengths)
+  {
+    typedef typename KnotVectorType::Scalar Scalar;
+
+    const DenseIndex n = pts.cols();
+
+    // 1. compute the column-wise norms
+    chord_lengths.resize(pts.cols());
+    chord_lengths[0] = 0;
+    chord_lengths.rightCols(n-1) = (pts.array().leftCols(n-1) - pts.array().rightCols(n-1)).matrix().colwise().norm();
+
+    // 2. compute the partial sums
+    std::partial_sum(chord_lengths.data(), chord_lengths.data()+n, chord_lengths.data());
+
+    // 3. normalize the data
+    chord_lengths /= chord_lengths(n-1);
+    chord_lengths(n-1) = Scalar(1);
+  }
+
+  /**
+   * \brief Spline fitting methods.
+   * \ingroup Splines_Module
+   **/     
+  template <typename SplineType>
+  struct SplineFitting
+  {
+    typedef typename SplineType::KnotVectorType KnotVectorType;
+    typedef typename SplineType::ParameterVectorType ParameterVectorType;
+
+    /**
+     * \brief Fits an interpolating Spline to the given data points.
+     *
+     * \param pts The points for which an interpolating spline will be computed.
+     * \param degree The degree of the interpolating spline.
+     *
+     * \returns A spline interpolating the initially provided points.
+     **/
+    template <typename PointArrayType>
+    static SplineType Interpolate(const PointArrayType& pts, DenseIndex degree);
+
+    /**
+     * \brief Fits an interpolating Spline to the given data points.
+     *
+     * \param pts The points for which an interpolating spline will be computed.
+     * \param degree The degree of the interpolating spline.
+     * \param knot_parameters The knot parameters for the interpolation.
+     *
+     * \returns A spline interpolating the initially provided points.
+     **/
+    template <typename PointArrayType>
+    static SplineType Interpolate(const PointArrayType& pts, DenseIndex degree, const KnotVectorType& knot_parameters);
+
+    /**
+     * \brief Fits an interpolating spline to the given data points and
+     * derivatives.
+     * 
+     * \param points The points for which an interpolating spline will be computed.
+     * \param derivatives The desired derivatives of the interpolating spline at interpolation
+     *                    points.
+     * \param derivativeIndices An array indicating which point each derivative belongs to. This
+     *                          must be the same size as @a derivatives.
+     * \param degree The degree of the interpolating spline.
+     *
+     * \returns A spline interpolating @a points with @a derivatives at those points.
+     *
+     * \sa Les A. Piegl, Khairan Rajab, Volha Smarodzinana. 2008.
+     * Curve interpolation with directional constraints for engineering design. 
+     * Engineering with Computers
+     **/
+    template <typename PointArrayType, typename IndexArray>
+    static SplineType InterpolateWithDerivatives(const PointArrayType& points,
+                                                 const PointArrayType& derivatives,
+                                                 const IndexArray& derivativeIndices,
+                                                 const unsigned int degree);
+
+    /**
+     * \brief Fits an interpolating spline to the given data points and derivatives.
+     * 
+     * \param points The points for which an interpolating spline will be computed.
+     * \param derivatives The desired derivatives of the interpolating spline at interpolation points.
+     * \param derivativeIndices An array indicating which point each derivative belongs to. This
+     *                          must be the same size as @a derivatives.
+     * \param degree The degree of the interpolating spline.
+     * \param parameters The parameters corresponding to the interpolation points.
+     *
+     * \returns A spline interpolating @a points with @a derivatives at those points.
+     *
+     * \sa Les A. Piegl, Khairan Rajab, Volha Smarodzinana. 2008.
+     * Curve interpolation with directional constraints for engineering design. 
+     * Engineering with Computers
+     */
+    template <typename PointArrayType, typename IndexArray>
+    static SplineType InterpolateWithDerivatives(const PointArrayType& points,
+                                                 const PointArrayType& derivatives,
+                                                 const IndexArray& derivativeIndices,
+                                                 const unsigned int degree,
+                                                 const ParameterVectorType& parameters);
+  };
+
+  template <typename SplineType>
+  template <typename PointArrayType>
+  SplineType SplineFitting<SplineType>::Interpolate(const PointArrayType& pts, DenseIndex degree, const KnotVectorType& knot_parameters)
+  {
+    typedef typename SplineType::KnotVectorType::Scalar Scalar;      
+    typedef typename SplineType::ControlPointVectorType ControlPointVectorType;      
+
+    typedef Matrix<Scalar,Dynamic,Dynamic> MatrixType;
+
+    KnotVectorType knots;
+    KnotAveraging(knot_parameters, degree, knots);
+
+    DenseIndex n = pts.cols();
+    MatrixType A = MatrixType::Zero(n,n);
+    for (DenseIndex i=1; i<n-1; ++i)
+    {
+      const DenseIndex span = SplineType::Span(knot_parameters[i], degree, knots);
+
+      // The segment call should somehow be told the spline order at compile time.
+      A.row(i).segment(span-degree, degree+1) = SplineType::BasisFunctions(knot_parameters[i], degree, knots);
+    }
+    A(0,0) = 1.0;
+    A(n-1,n-1) = 1.0;
+
+    HouseholderQR<MatrixType> qr(A);
+
+    // Here, we are creating a temporary due to an Eigen issue.
+    ControlPointVectorType ctrls = qr.solve(MatrixType(pts.transpose())).transpose();
+
+    return SplineType(knots, ctrls);
+  }
+
+  template <typename SplineType>
+  template <typename PointArrayType>
+  SplineType SplineFitting<SplineType>::Interpolate(const PointArrayType& pts, DenseIndex degree)
+  {
+    KnotVectorType chord_lengths; // knot parameters
+    ChordLengths(pts, chord_lengths);
+    return Interpolate(pts, degree, chord_lengths);
+  }
+  
+  template <typename SplineType>
+  template <typename PointArrayType, typename IndexArray>
+  SplineType 
+  SplineFitting<SplineType>::InterpolateWithDerivatives(const PointArrayType& points,
+                                                        const PointArrayType& derivatives,
+                                                        const IndexArray& derivativeIndices,
+                                                        const unsigned int degree,
+                                                        const ParameterVectorType& parameters)
+  {
+    typedef typename SplineType::KnotVectorType::Scalar Scalar;      
+    typedef typename SplineType::ControlPointVectorType ControlPointVectorType;
+
+    typedef Matrix<Scalar, Dynamic, Dynamic> MatrixType;
+
+    const DenseIndex n = points.cols() + derivatives.cols();
+    
+    KnotVectorType knots;
+
+    KnotAveragingWithDerivatives(parameters, degree, derivativeIndices, knots);
+    
+    // fill matrix
+    MatrixType A = MatrixType::Zero(n, n);
+
+    // Use these dimensions for quicker populating, then transpose for solving.
+    MatrixType b(points.rows(), n);
+
+    DenseIndex startRow;
+    DenseIndex derivativeStart;
+
+    // End derivatives.
+    if (derivativeIndices[0] == 0)
+    {
+      A.template block<1, 2>(1, 0) << -1, 1;
+      
+      Scalar y = (knots(degree + 1) - knots(0)) / degree;
+      b.col(1) = y*derivatives.col(0);
+      
+      startRow = 2;
+      derivativeStart = 1;
+    }
+    else
+    {
+      startRow = 1;
+      derivativeStart = 0;
+    }
+    if (derivativeIndices[derivatives.cols() - 1] == points.cols() - 1)
+    {
+      A.template block<1, 2>(n - 2, n - 2) << -1, 1;
+
+      Scalar y = (knots(knots.size() - 1) - knots(knots.size() - (degree + 2))) / degree;
+      b.col(b.cols() - 2) = y*derivatives.col(derivatives.cols() - 1);
+    }
+    
+    DenseIndex row = startRow;
+    DenseIndex derivativeIndex = derivativeStart;
+    for (DenseIndex i = 1; i < parameters.size() - 1; ++i)
+    {
+      const DenseIndex span = SplineType::Span(parameters[i], degree, knots);
+
+      if (derivativeIndex < derivativeIndices.size() && derivativeIndices[derivativeIndex] == i)
+      {
+        A.block(row, span - degree, 2, degree + 1)
+          = SplineType::BasisFunctionDerivatives(parameters[i], 1, degree, knots);
+
+        b.col(row++) = points.col(i);
+        b.col(row++) = derivatives.col(derivativeIndex++);
+      }
+      else
+      {
+        A.row(row).segment(span - degree, degree + 1)
+          = SplineType::BasisFunctions(parameters[i], degree, knots);
+        b.col(row++) = points.col(i);
+      }
+    }
+    b.col(0) = points.col(0);
+    b.col(b.cols() - 1) = points.col(points.cols() - 1);
+    A(0,0) = 1;
+    A(n - 1, n - 1) = 1;
+    
+    // Solve
+    FullPivLU<MatrixType> lu(A);
+    ControlPointVectorType controlPoints = lu.solve(MatrixType(b.transpose())).transpose();
+
+    SplineType spline(knots, controlPoints);
+    
+    return spline;
+  }
+  
+  template <typename SplineType>
+  template <typename PointArrayType, typename IndexArray>
+  SplineType
+  SplineFitting<SplineType>::InterpolateWithDerivatives(const PointArrayType& points,
+                                                        const PointArrayType& derivatives,
+                                                        const IndexArray& derivativeIndices,
+                                                        const unsigned int degree)
+  {
+    ParameterVectorType parameters;
+    ChordLengths(points, parameters);
+    return InterpolateWithDerivatives(points, derivatives, derivativeIndices, degree, parameters);
+  }
+}
+
+#endif // EIGEN_SPLINE_FITTING_H

include/eigen3/unsupported/Eigen/src/Splines/SplineFwd.h

@@ -0,0 +1,93 @@
+// This file is part of Eigen, a lightweight C++ template library
+// for linear algebra.
+//
+// Copyright (C) 20010-2011 Hauke Heibel <hauke.heibel@gmail.com>
+//
+// This Source Code Form is subject to the terms of the Mozilla
+// Public License v. 2.0. If a copy of the MPL was not distributed
+// with this file, You can obtain one at http://mozilla.org/MPL/2.0/.
+
+#ifndef EIGEN_SPLINES_FWD_H
+#define EIGEN_SPLINES_FWD_H
+
+#include "../../../../Eigen/Core"
+
+namespace Eigen
+{
+    template <typename Scalar, int Dim, int Degree = Dynamic> class Spline;
+
+    template < typename SplineType, int DerivativeOrder = Dynamic > struct SplineTraits {};
+
+    /**
+     * \ingroup Splines_Module
+     * \brief Compile-time attributes of the Spline class for Dynamic degree.
+     **/
+    template <typename _Scalar, int _Dim, int _Degree>
+    struct SplineTraits< Spline<_Scalar, _Dim, _Degree>, Dynamic >
+    {
+      typedef _Scalar Scalar; /*!< The spline curve's scalar type. */
+      enum { Dimension = _Dim /*!< The spline curve's dimension. */ };
+      enum { Degree = _Degree /*!< The spline curve's degree. */ };
+
+      enum { OrderAtCompileTime = _Degree==Dynamic ? Dynamic : _Degree+1 /*!< The spline curve's order at compile-time. */ };
+      enum { NumOfDerivativesAtCompileTime = OrderAtCompileTime /*!< The number of derivatives defined for the current spline. */ };
+      
+      enum { DerivativeMemoryLayout = Dimension==1 ? RowMajor : ColMajor /*!< The derivative type's memory layout. */ };
+
+      /** \brief The data type used to store non-zero basis functions. */
+      typedef Array<Scalar,1,OrderAtCompileTime> BasisVectorType;
+
+      /** \brief The data type used to store the values of the basis function derivatives. */
+      typedef Array<Scalar,Dynamic,Dynamic,RowMajor,NumOfDerivativesAtCompileTime,OrderAtCompileTime> BasisDerivativeType;
+      
+      /** \brief The data type used to store the spline's derivative values. */
+      typedef Array<Scalar,Dimension,Dynamic,DerivativeMemoryLayout,Dimension,NumOfDerivativesAtCompileTime> DerivativeType;
+
+      /** \brief The point type the spline is representing. */
+      typedef Array<Scalar,Dimension,1> PointType;
+      
+      /** \brief The data type used to store knot vectors. */
+      typedef Array<Scalar,1,Dynamic> KnotVectorType;
+
+      /** \brief The data type used to store parameter vectors. */
+      typedef Array<Scalar,1,Dynamic> ParameterVectorType;
+      
+      /** \brief The data type representing the spline's control points. */
+      typedef Array<Scalar,Dimension,Dynamic> ControlPointVectorType;
+    };
+
+    /**
+     * \ingroup Splines_Module
+     * \brief Compile-time attributes of the Spline class for fixed degree.
+     *
+     * The traits class inherits all attributes from the SplineTraits of Dynamic degree.
+     **/
+    template < typename _Scalar, int _Dim, int _Degree, int _DerivativeOrder >
+    struct SplineTraits< Spline<_Scalar, _Dim, _Degree>, _DerivativeOrder > : public SplineTraits< Spline<_Scalar, _Dim, _Degree> >
+    {
+      enum { OrderAtCompileTime = _Degree==Dynamic ? Dynamic : _Degree+1 /*!< The spline curve's order at compile-time. */ };
+      enum { NumOfDerivativesAtCompileTime = _DerivativeOrder==Dynamic ? Dynamic : _DerivativeOrder+1 /*!< The number of derivatives defined for the current spline. */ };
+      
+      enum { DerivativeMemoryLayout = _Dim==1 ? RowMajor : ColMajor /*!< The derivative type's memory layout. */ };
+
+      /** \brief The data type used to store the values of the basis function derivatives. */
+      typedef Array<_Scalar,Dynamic,Dynamic,RowMajor,NumOfDerivativesAtCompileTime,OrderAtCompileTime> BasisDerivativeType;
+      
+      /** \brief The data type used to store the spline's derivative values. */      
+      typedef Array<_Scalar,_Dim,Dynamic,DerivativeMemoryLayout,_Dim,NumOfDerivativesAtCompileTime> DerivativeType;
+    };
+
+    /** \brief 2D float B-spline with dynamic degree. */
+    typedef Spline<float,2> Spline2f;
+    
+    /** \brief 3D float B-spline with dynamic degree. */
+    typedef Spline<float,3> Spline3f;
+
+    /** \brief 2D double B-spline with dynamic degree. */
+    typedef Spline<double,2> Spline2d;
+    
+    /** \brief 3D double B-spline with dynamic degree. */
+    typedef Spline<double,3> Spline3d;
+}
+
+#endif // EIGEN_SPLINES_FWD_H

pylibsparseir/__init__.py

@@ -0,0 +1,31 @@
+"""
+pylibsparseir - Python bindings for the libsparseir library
+
+This package provides Python bindings for the libsparseir C++ library,
+enabling efficient computation of sparse intermediate representation (IR) 
+basis functions used in many-body physics calculations.
+"""
+
+from .core import *
+from .constants import *
+
+# Import version from package metadata
+try:
+    from importlib.metadata import version, PackageNotFoundError
+    __version__ = version("pylibsparseir")
+except ImportError:
+    # Fallback for Python < 3.8
+    try:
+        import pkg_resources
+        __version__ = pkg_resources.get_distribution("pylibsparseir").version
+    except Exception:
+        __version__ = "unknown"
+except PackageNotFoundError:
+    # Package not installed, fallback
+    __version__ = "unknown"
+
+# Create version info tuple
+try:
+    __version_info__ = tuple(map(int, __version__.split(".")))
+except (ValueError, AttributeError):
+    __version_info__ = (0, 0, 0)

pylibsparseir/clean_build_artifacts.py

@@ -20,7 +20,6 @@ def clean_build_artifacts():
         'src',
         'fortran',
         'cmake',
-        'CMakeLists.txt'
     ]
 
     # Files in pylibsparseir to remove